1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde

C13H16N4O — CID 103386359

IUPAC1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
SMILESCn1cnc2c(N3CCC(C=O)CC3)nccc21
InChIInChI=1S/C13H16N4O/c1-16-9-15-12-11(16)2-5-14-13(12)17-6-3-10(8-18)4-7-17/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyUAHXUWYZWFZZKU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds2

About 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde

1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde (PubChem CID 103386359) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
PubChem CID103386359
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
SMILESCn1cnc2c(N3CCC(C=O)CC3)nccc21
InChIInChI=1S/C13H16N4O/c1-16-9-15-12-11(16)2-5-14-13(12)17-6-3-10(8-18)4-7-17/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyUAHXUWYZWFZZKU-UHFFFAOYSA-N
XLogP1.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde (CID 103386359) is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde is Cn1cnc2c(N3CCC(C=O)CC3)nccc21.
What is the InChIKey of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is UAHXUWYZWFZZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-9-15-12-11(16)2-5-14-13(12)17-6-3-10(8-18)4-7-17/h2,5,8-10H,3-4,6-7H2,1H3.
What are the key properties of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde?
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 103386359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).